(1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione

C15H14O4 — CID 15741812

IUPAC(1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione
SMILESO=C1C2=C(C(=O)[C@H]3[C@@H]1[C@H]1C=C[C@@H]3C1)C1(C2)OCCO1
InChIInChI=1S/C15H14O4/c16-13-9-6-15(18-3-4-19-15)12(9)14(17)11-8-2-1-7(5-8)10(11)13/h1-2,7-8,10-11H,3-6H2/t7-,8+,10-,11+/m0/s1
InChIKeyZNLSQJRYAAHYOM-GISOBZBCSA-N
MW258.27 g/mol
LogP1.02
Rot. Bonds

About (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione

(1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione (PubChem CID 15741812) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione.

Molecular Properties

Compound Name(1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione
PubChem CID15741812
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione
SMILESO=C1C2=C(C(=O)[C@H]3[C@@H]1[C@H]1C=C[C@@H]3C1)C1(C2)OCCO1
InChIInChI=1S/C15H14O4/c16-13-9-6-15(18-3-4-19-15)12(9)14(17)11-8-2-1-7(5-8)10(11)13/h1-2,7-8,10-11H,3-6H2/t7-,8+,10-,11+/m0/s1
InChIKeyZNLSQJRYAAHYOM-GISOBZBCSA-N
XLogP1.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione with MolForge

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Related Compounds

(1'S,2'R,7'S,8'R)-4'-iodospiro[1,3-dioxolane-2,6'-tricyclo[6.2.1.02,7]undeca-4,9-diene]-3'-one
CID 24851315
(1'R,2'S,7'S,8'S)-4'-iodospiro[1,3-dioxolane-2,6'-tricyclo[6.2.1.02,7]undeca-4,9-diene]-3'-one
CID 163456935
(1'R,2'S,7'R,8'S)-spiro[1,3-dioxolane-2,6'-tricyclo[6.2.1.02,7]undeca-4,9-diene]-3'-one
CID 15448600
(1'S,2'R,7'S,8'R)-spiro[1,3-dioxolane-2,6'-tricyclo[6.2.1.02,7]undeca-4,9-diene]-3'-one
CID 101062127

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione?
The IUPAC name of (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione (CID 15741812) is (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione.
What is the SMILES notation for (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione?
The canonical SMILES for (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione is O=C1C2=C(C(=O)[C@H]3[C@@H]1[C@H]1C=C[C@@H]3C1)C1(C2)OCCO1.
What is the InChIKey of (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione?
The InChIKey is ZNLSQJRYAAHYOM-GISOBZBCSA-N. The full InChI is InChI=1S/C15H14O4/c16-13-9-6-15(18-3-4-19-15)12(9)14(17)11-8-2-1-7(5-8)10(11)13/h1-2,7-8,10-11H,3-6H2/t7-,8+,10-,11+/m0/s1.
What are the key properties of (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione?
(1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione has a molecular weight of 258.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,9'S,10'R)-spiro[1,3-dioxolane-2,5'-tetracyclo[8.2.1.02,9.04,7]trideca-4(7),11-diene]-3',8'-dione is sourced from PubChem (CID 15741812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).